2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride

C9H18ClNO2 — CID 54593669

IUPAC2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride
SMILESCl.NCC(CC1CCCC1)C(=O)O
InChIInChI=1S/C9H17NO2.ClH/c10-6-8(9(11)12)5-7-3-1-2-4-7;/h7-8H,1-6,10H2,(H,11,12);1H
InChIKeySETBWRFJEUGTKU-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.65
Rot. Bonds4

About 2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride

2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride (PubChem CID 54593669) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride
PubChem CID54593669
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride
SMILESCl.NCC(CC1CCCC1)C(=O)O
InChIInChI=1S/C9H17NO2.ClH/c10-6-8(9(11)12)5-7-3-1-2-4-7;/h7-8H,1-6,10H2,(H,11,12);1H
InChIKeySETBWRFJEUGTKU-UHFFFAOYSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride (CID 54593669) is 2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride is Cl.NCC(CC1CCCC1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride?
The InChIKey is SETBWRFJEUGTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c10-6-8(9(11)12)5-7-3-1-2-4-7;/h7-8H,1-6,10H2,(H,11,12);1H.
What are the key properties of 2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride?
2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-cyclopentylpropanoic acid;hydrochloride is sourced from PubChem (CID 54593669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).